[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H18N4O4/c1-3-8-22-17(24)13-7-5-4-6-12(13)16(21-22)18(25)26-10-15(23)14(9-19)11(2)20/h4-7H,3,8,10,20H2,1-2H3/b14-11+